N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

C19H29Cl2N3O3S — CID 119642682

IUPACN-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1.Cl.Cl
InChIInChI=1S/C19H27N3O3S.2ClH/c1-5-19(20,6-2)12-21-17(23)10-14-11-26-18(22-14)13-7-8-15(24-3)16(9-13)25-4;;/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,23);2*1H
InChIKeyBHULOBKUQBCENK-UHFFFAOYSA-N
MW450.43 g/mol
LogP3.85
Rot. Bonds9

About N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride

N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (PubChem CID 119642682) has the molecular formula C19H29Cl2N3O3S and a molecular weight of 450.43 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
PubChem CID119642682
Molecular FormulaC19H29Cl2N3O3S
Molecular Weight450.43 g/mol
Exact Mass449.13
IUPAC NameN-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
SMILESCCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1.Cl.Cl
InChIInChI=1S/C19H27N3O3S.2ClH/c1-5-19(20,6-2)12-21-17(23)10-14-11-26-18(22-14)13-7-8-15(24-3)16(9-13)25-4;;/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,23);2*1H
InChIKeyBHULOBKUQBCENK-UHFFFAOYSA-N
XLogP3.85
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-ethylbutyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119640329
N-(2-amino-2-ethylbutyl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119642700
N-(2-amino-2-ethylbutyl)-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119639768
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
N-[(2,3-dimethoxyphenyl)methyl]-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 55583357
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 4823194
4-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]thiane-4-carboxylic acid
CID 134601474
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
N-(2-amino-2-ethylbutyl)-2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119643841
N-(2-amino-2-ethylbutyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119641011

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride (CID 119642682) is N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is CCC(N)(CC)CNC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
The InChIKey is BHULOBKUQBCENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.2ClH/c1-5-19(20,6-2)12-21-17(23)10-14-11-26-18(22-14)13-7-8-15(24-3)16(9-13)25-4;;/h7-9,11H,5-6,10,12,20H2,1-4H3,(H,21,23);2*1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride?
N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride has a molecular weight of 450.43 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119642682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).